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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F2O6S
Molecular Weight 506.559
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (6?,11?,16?,17?)-6,9-Difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C5=CC=CO5)C(S)=O

InChI

InChIKey=CDZNLVUCJXQAPI-VEGHOPOESA-N
InChI=1S/C26H28F2O6S/c1-13-9-15-16-11-18(27)17-10-14(29)6-7-23(17,2)25(16,28)20(30)12-24(15,3)26(13,22(32)35)34-21(31)19-5-4-8-33-19/h4-8,10,13,15-16,18,20,30H,9,11-12H2,1-3H3,(H,32,35)/t13-,15+,16+,18+,20+,23+,24+,25+,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(6?,11?,16?,17?)-6,9-Difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid
Systematic Name English
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-((furan-2-carbonyl)oxy)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carbothioic S-acid
Preferred Name English
Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, (6?,11?,16?,17?)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10118149
Created by admin on Wed Apr 02 21:23:25 GMT 2025 , Edited by admin on Wed Apr 02 21:23:25 GMT 2025
PRIMARY
FDA UNII
C8LHB4Y99H
Created by admin on Wed Apr 02 21:23:25 GMT 2025 , Edited by admin on Wed Apr 02 21:23:25 GMT 2025
PRIMARY
CAS
397864-40-3
Created by admin on Wed Apr 02 21:23:25 GMT 2025 , Edited by admin on Wed Apr 02 21:23:25 GMT 2025
PRIMARY